Impact of alkaline-earth doping on electronic properties of the photovoltaic perovskite CsSnI<sub>3</sub>: insights from a DFT perspective
Iván Ornelas−Cruz, Israel González, J. Pilo, Alejandro Trejo, Raúl Oviedo‐Roa, M. Cruz‐Irisson
Abstract
Doping the photovoltaic perovskite material CsSnI 3 with alkaline-earth species (such as Mg or Ca) could hinder the oxidation of Sn( ii ) to the more stable Sn( iv ), and the resulted compounds could still be suitable for single-junction solar cells.
Topics & Concepts
Perovskite (structure)DopingBand gapMaterials scienceHalideDensity functional theorySemiconductorAlkaline earth metalPhotovoltaic systemBulk modulusMetalCondensed matter physicsNanotechnologyInorganic chemistryOptoelectronicsCrystallographyComputational chemistryChemistryComposite materialPhysicsMetallurgyElectrical engineeringEngineeringPerovskite Materials and ApplicationsChalcogenide Semiconductor Thin FilmsSolid-state spectroscopy and crystallography